Compound Identification
SMILES
NC1=C(N=NC2=C(C=C(C=C2)C2=CC(C(O)=O)=C(NC(=O)NC3=CC4=C(O)C(N=NC5=CC=C(N=NC6=CC(C(O)=O)=C(O)C=C6)C6=CC=CC=C56)=C(C=C4C=C3)S(O)(=O)=O)C=C2)C(O)=O)C(=CC2=CC(=CC(O)=C12)S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=MUKHPKCBDWFBCC-UHFFFAOYSA-N
Formula
C52H35N9O19S3
Mass
1186.08
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
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Level 5
Naphthalene sulfonates
- Level 6 2-naphthalene sulfonates
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Level 5
Naphthalene sulfonates
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes
Naphthalene sulfonates
Direct Parent
2-naphthalene sulfonates
Alternative Parents
2-naphthalene sulfonic acids and derivatives Biphenyls and derivatives Naphthols and derivatives Salicylic acids N-phenylureas 1-sulfo,2-unsubstituted aromatic compounds Benzoic acids Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Sulfonyls Organosulfonic acids Vinylogous acids Vinylogous amides Amino acids Azo compounds Ureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Biphenyl - 1-naphthol - N-phenylurea - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous amide - Vinylogous acid - Urea - Amino acid - Azo compound - Amino acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Organosulfur compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available